#include <grid_atomic.h>

Inheritance diagram for RadialSchemeGC2:

Public Member Functions
	RadialSchemeGC2 ()
virtual void	init (int myNumber, int charge, real threshold)
	Initializes RadialSchemeGC2 grid generator.
virtual void	generate (real r, real w)
	Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.
Public Member Functions inherited from RadialScheme
	RadialScheme (const char *n)
int	size () const
virtual	~RadialScheme ()

Public Attributes
void *	quadData
Public Attributes inherited from RadialScheme
const char *	name
int	gridSize

Constructor & Destructor Documentation

◆ RadialSchemeGC2()

RadialSchemeGC2::RadialSchemeGC2 ( )

inline

References RadialScheme::RadialScheme().

Member Function Documentation

◆ generate()

void RadialSchemeGC2::generate	(	real *	rad,
		real *	wght )

virtual

Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.

The rad and wght arrays are filled in.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_cos(), template_blas_log(), and template_blas_sin().

◆ init()

void RadialSchemeGC2::init	(	int	myNumber,
		int	Z,
		real	thrl )

virtual

Initializes RadialSchemeGC2 grid generator.

Determinates number of radial points to be used for Gauss-Chebyshev quadrature of second kind needed to integrate atom of specified Z number to specified threshold thrl.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_log10(), and template_blas_sqrt().

Member Data Documentation

◆ quadData

void* RadialSchemeGC2::quadData

The documentation for this struct was generated from the following files:

source/dft/grid_atomic.h
source/dft/grid_atomic.cc

Public Member Functions